N-(6-Aminohexanoyl)-3-Methylvalyl-3-Methylvalyl-N~1~-{3-Hydroxy-4-Oxo-4-[(1-Phenylpropyl)Amino]-2-Butanyl}-N~4~,N~4~-Dimethylaspartamide

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Properties Simple | Detailed

Formula C37H63N7O7
IUPAC Name (2s)-2-[[(2s)-2-[[(2s)-2-(6-aminohexanoylamino)-3,3-dimethyl-butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-n-[(1s,2s)-2-hydroxy-1-methyl-3-oxo-3-[[(1r)-1-phenylpropyl]amino]propyl]-n',n'-dimethyl-butanediamide
Molecular Mass 717.939 g·mol−1
Heat of Formation -1632.0 ± 16.7 kJ·mol−1
Dipole Moment 7.31 ± 1.08 D
Volume 944.89 Å 3
Surface Area 701.69 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-[[(2s)-2-(6-aminohexanoylamino)-3,3-dimethyl-butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-n-[(1s,2s)-2-hydroxy-1-methyl-3-oxo-3-[[(1r)-1-phenylpropyl]amino]propyl]-n',n'-dimethyl-butanediamide
  • (2s)-2-[[(2s)-2-[[(2s)-2-(6-aminohexanoylamino)-3,3-dimethyl-butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-n-[(1s,2s)-2-hydroxy-3-keto-1-methyl-3-[[(1r)-1-phenylpropyl]amino]propyl]-n',n'-dimethyl-succinamide
  • (2s)-2-[[(2s)-2-[[(2s)-2-(6-aminohexanoylamino)-3,3-dimethyl-butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-n-[(2s,3s)-3-hydroxy-4-oxo-4-[[(1r)-1-phenylpropyl]amino]butan-2-yl]-n',n'-dimethyl-butanediamide
  • (2s)-2-[[(2s)-2-[[(2s)-2-(6-aminohexanoylamino)-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]-n-[(2s,3s)-3-hydroxy-4-oxo-4-[[(1r)-1-phenylpropyl]amino]butan-2-yl]-n',n'-dimethylbutanediamide
  • (2s)-2-[[(2s)-2-[[(2s)-2-[(6-amino-1-oxohexyl)amino]-3,3-dimethyl-1-oxobutyl]amino]-3,3-dimethyl-1-oxobutyl]amino]-n-[(1s,2s)-2-hydroxy-1-methyl-3-oxo-3-[[(1r)-1-phenylpropyl]amino]propyl]-n',n'-dimethylbutanediamide
InChIKey RICYNZHPHSJRNO-GYZAPQSVSA-N
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